CID 129648

(-)-glycinol

Structural Information

Molecular Formula
C15H12O5
SMILES
C1[C@@]2([C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O
InChI
InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1
InChIKey
QMXOFBXZEKTJIK-LSDHHAIUSA-N
Compound name
(6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

1782
Patents

272.06848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 155.2
[M+Na]+ 295.057698 165.4
[M-H]- 271.061204 159.9
[M+NH4]+ 290.102303 174.1
[M+K]+ 311.031638 162.9
[M+H-H2O]+ 255.065740 150.3
[M+HCOO]- 317.066681 169.5
[M+CH3COO]- 331.082331 167.5
[M+Na-2H]- 293.043146 163.6
[M]+ 272.06793142 156.8
[M]- 272.06902858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe